Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 9 results

Search term: KLWVTIAGALPKIH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3006603

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)
C25H27N5O6493.51178151200
5375252

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)/t17-,19+/m1/s1
C25H27N5O6493.51182100
5375254

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)/t17-,19-/m0/s1
C25H27N5O6493.51182100
5375256

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)/t17-,19-/m1/s1
C25H27N5O6493.51182100
5375258

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)/t17-,19+/m0/s1
C25H27N5O6493.51182100
5375257

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)/p-1/t17-,19+/m0/s1
C25H26N5O6492.50441100
5375255

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)/p-1/t17-,19-/m1/s1
C25H26N5O6492.50441100
5375253

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)/p-1/t17-,19-/m0/s1
C25H26N5O6492.50441100
5375251

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H27N5O6/c1-15-8-10-18(11-9-15)36-14-17(31)13-30-20-21(29(2)25(35)28-22(20)32)27-24(30)26-19(23(33)34)12-16-6-4-3-5-7-16/h3-11,17,19,31H,12-14H2,1-2H3,(H,26,27)(H,33,34)(H,28,32,35)/p-1/t17-,19+/m1/s1
C25H26N5O6492.50441100

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